Information card for entry 7200383

Structure parameters

• Common name: [Cu(2,2'-bipy)(cdm)Cl]2.2MeOH
• Chemical name: [Cu(2,2'-bipy)(cdm)Cl]2.2MeOH
• Formula: C30 H28 Cl2 Cu2 N10 O4
• Calculated formula: C30 H28 Cl2 Cu2 N10 O4
• SMILES: c1c2c3[n](cccc3)[Cu]3([n]2ccc1)(N=C=C(C#N)C(=O)N)[Cl][Cu]1([n]2c(c4cccc[n]14)cccc2)(N=C=C(C#N)C(=O)N)[Cl]3.OC.OC
• Title of publication: Destabilisation of a dual-synthon hydrogen bonding motif by packing effects and competing hydrogen bond donors
• Authors of publication: Turner, David R.; Pek, Sze Nee; Batten, Stuart R.
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 1
• Pages of publication: 87
• a: 8.3016 ± 0.0008 Å
• b: 8.8946 ± 0.0009 Å
• c: 11.7703 ± 0.0013 Å
• α: 83.191 ± 0.003°
• β: 81.216 ± 0.003°
• γ: 67.746 ± 0.003°
• Cell volume: 793.19 ± 0.14 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No